2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine

C16H30N2O — CID 102901027

IUPAC2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine
SMILESNCCC1CCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C16H30N2O/c17-10-5-14-6-11-18(12-14)13-15-4-9-16(19-15)7-2-1-3-8-16/h14-15H,1-13,17H2
InChIKeyFKVKQHSWZNLFNA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.54
Rot. Bonds4

About 2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine

2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine (PubChem CID 102901027) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine
PubChem CID102901027
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine
SMILESNCCC1CCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C16H30N2O/c17-10-5-14-6-11-18(12-14)13-15-4-9-16(19-15)7-2-1-3-8-16/h14-15H,1-13,17H2
InChIKeyFKVKQHSWZNLFNA-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2-Cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine
CID 55074281
[5-[[Cyclohexylmethyl(methyl)amino]methyl]oxolan-2-yl]methanamine
CID 62411318
[5-[[4-(Pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]oxolan-2-yl]methanamine
CID 63009224
[2-(2-Pyrrolidin-1-ylethoxy)cyclohexyl]methanamine
CID 65838719
N-(oxolan-2-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79546342
N-[1-(oxolan-2-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79546759
N-[(2-methyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 80180733
[5-(2,3,3a,4,5,6,7,7a-Octahydroindol-1-ylmethyl)oxolan-2-yl]methanamine
CID 82751039
5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102848065
3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine
CID 102848130
3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-2-amine
CID 102848156
1-methoxy-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102848172

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine (CID 102901027) is 2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine is NCCC1CCN(CC2CCC3(CCCCC3)O2)C1.
What is the InChIKey of 2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is FKVKQHSWZNLFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c17-10-5-14-6-11-18(12-14)13-15-4-9-16(19-15)7-2-1-3-8-16/h14-15H,1-13,17H2.
What are the key properties of 2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 102901027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).